8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one

C147H110N4O6 — CID 161016683

IUPAC8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)oc(=O)c3cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)ccc34)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)oc(=O)c3ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c(=O)oc3ccccc34)cc21
InChIInChI=1S/C61H44N2O2.2C43H33NO2/c1-60(2)53-20-12-9-17-45(53)49-33-39(26-30-54(49)60)62(41-24-28-46-44-16-8-11-19-52(44)61(3,4)55(46)35-41)42-25-29-48-43-27-23-40(34-51(43)59(64)65-58(48)36-42)63-56-21-13-10-18-47(56)50-32-38(22-31-57(50)63)37-14-6-5-7-15-37;1-42(2)36-14-8-5-11-30(36)32-21-18-27(24-38(32)42)44(26-17-20-29-34-13-7-10-16-40(34)46-41(45)35(29)23-26)28-19-22-33-31-12-6-9-15-37(31)43(3,4)39(33)25-28;1-42(2)37-16-10-8-13-31(37)35-23-26(19-22-38(35)42)44(27-17-20-32-30-12-7-9-15-36(30)43(3,4)39(32)24-27)28-18-21-33-29-11-5-6-14-34(29)41(45)46-40(33)25-28/h5-36H,1-4H3;2*5-25H,1-4H3
InChIKeyTXUWOZMPXOAZLE-UHFFFAOYSA-N
MW2028.52 g/mol
LogP37.85
Rot. Bonds11

About 8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one

8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one (PubChem CID 161016683) has the molecular formula C147H110N4O6 and a molecular weight of 2028.52 g/mol. Its IUPAC name is 8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one
PubChem CID161016683
Molecular FormulaC147H110N4O6
Molecular Weight2028.52 g/mol
Exact Mass2026.84
IUPAC Name8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)oc(=O)c3cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)ccc34)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)oc(=O)c3ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c(=O)oc3ccccc34)cc21
InChIInChI=1S/C61H44N2O2.2C43H33NO2/c1-60(2)53-20-12-9-17-45(53)49-33-39(26-30-54(49)60)62(41-24-28-46-44-16-8-11-19-52(44)61(3,4)55(46)35-41)42-25-29-48-43-27-23-40(34-51(43)59(64)65-58(48)36-42)63-56-21-13-10-18-47(56)50-32-38(22-31-57(50)63)37-14-6-5-7-15-37;1-42(2)36-14-8-5-11-30(36)32-21-18-27(24-38(32)42)44(26-17-20-29-34-13-7-10-16-40(34)46-41(45)35(29)23-26)28-19-22-33-31-12-6-9-15-37(31)43(3,4)39(33)25-28;1-42(2)37-16-10-8-13-31(37)35-23-26(19-22-38(35)42)44(27-17-20-32-30-12-7-9-15-36(30)43(3,4)39(32)24-27)28-18-21-33-29-11-5-6-14-34(29)41(45)46-40(33)25-28/h5-36H,1-4H3;2*5-25H,1-4H3
InChIKeyTXUWOZMPXOAZLE-UHFFFAOYSA-N
XLogP37.85
TPSA105.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002028.52
LogP ≤ 537.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one with MolForge

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Related Compounds

3-[6-[bis(9,9-dimethylfluoren-2-yl)amino]-9-phenylcarbazol-3-yl]xanthen-9-one
CID 142288867
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159213224
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine
CID 126702849
3-[9,9-dimethyl-7-(N-(9-phenylcarbazol-3-yl)anilino)fluoren-3-yl]xanthen-9-one
CID 142288906
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one
CID 125495771
6-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;6-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 159916730
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213172
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
7-carbazol-9-yl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58389898
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991

Frequently Asked Questions

What is the IUPAC name of 8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one?
The IUPAC name of 8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one (CID 161016683) is 8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one.
What is the SMILES notation for 8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one?
The canonical SMILES for 8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)oc(=O)c3cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)ccc34)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)oc(=O)c3ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c(=O)oc3ccccc34)cc21.
What is the InChIKey of 8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one?
The InChIKey is TXUWOZMPXOAZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2O2.2C43H33NO2/c1-60(2)53-20-12-9-17-45(53)49-33-39(26-30-54(49)60)62(41-24-28-46-44-16-8-11-19-52(44)61(3,4)55(46)35-41)42-25-29-48-43-27-23-40(34-51(43)59(64)65-58(48)36-42)63-56-21-13-10-18-47(56)50-32-38(22-31-57(50)63)37-14-6-5-7-15-37;1-42(2)36-14-8-5-11-30(36)32-21-18-27(24-38(32)42)44(26-17-20-29-34-13-7-10-16-40(34)46-41(45)35(29)23-26)28-19-22-33-31-12-6-9-15-37(31)43(3,4)39(33)25-28;1-42(2)37-16-10-8-13-31(37)35-23-26(19-22-38(35)42)44(27-17-20-32-30-12-7-9-15-36(30)43(3,4)39(32)24-27)28-18-21-33-29-11-5-6-14-34(29)41(45)46-40(33)25-28/h5-36H,1-4H3;2*5-25H,1-4H3.
What are the key properties of 8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one?
8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one has a molecular weight of 2028.52 g/mol, XLogP of 37.85, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one is sourced from PubChem (CID 161016683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).