4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine

C74H55N3 — CID 59171720

IUPAC4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc3-4)cc21
InChIInChI=1S/C74H55N3/c1-73(2)65-28-14-12-26-59(65)61-41-38-55(46-67(61)73)75(53-34-36-54(37-35-53)76(52-22-6-5-7-23-52)69-30-16-20-48-18-8-10-24-57(48)69)56-39-42-62-60-40-32-51(45-66(60)74(3,4)68(62)47-56)50-33-43-72-64(44-50)63-27-13-15-29-71(63)77(72)70-31-17-21-49-19-9-11-25-58(49)70/h5-47H,1-4H3
InChIKeyCDLDGOCDRBRCKB-UHFFFAOYSA-N
MW986.28 g/mol
LogP20.31
Rot. Bonds8

About 4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine

4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine (PubChem CID 59171720) has the molecular formula C74H55N3 and a molecular weight of 986.28 g/mol. Its IUPAC name is 4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
PubChem CID59171720
Molecular FormulaC74H55N3
Molecular Weight986.28 g/mol
Exact Mass985.44
IUPAC Name4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc3-4)cc21
InChIInChI=1S/C74H55N3/c1-73(2)65-28-14-12-26-59(65)61-41-38-55(46-67(61)73)75(53-34-36-54(37-35-53)76(52-22-6-5-7-23-52)69-30-16-20-48-18-8-10-24-57(48)69)56-39-42-62-60-40-32-51(45-66(60)74(3,4)68(62)47-56)50-33-43-72-64(44-50)63-27-13-15-29-71(63)77(72)70-31-17-21-49-19-9-11-25-58(49)70/h5-47H,1-4H3
InChIKeyCDLDGOCDRBRCKB-UHFFFAOYSA-N
XLogP20.31
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.28
LogP ≤ 520.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393624
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393540
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-methylphenyl)-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-amine
CID 59171796
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162198244
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 157191208
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-1-amine
CID 155004194
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157310946
9,9-dimethyl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 159442590
N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-1-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160543071
9,9-dimethyl-N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 159884848
9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 159246484

Frequently Asked Questions

What is the IUPAC name of 4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine (CID 59171720) is 4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc3-4)cc21.
What is the InChIKey of 4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine?
The InChIKey is CDLDGOCDRBRCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H55N3/c1-73(2)65-28-14-12-26-59(65)61-41-38-55(46-67(61)73)75(53-34-36-54(37-35-53)76(52-22-6-5-7-23-52)69-30-16-20-48-18-8-10-24-57(48)69)56-39-42-62-60-40-32-51(45-66(60)74(3,4)68(62)47-56)50-33-43-72-64(44-50)63-27-13-15-29-71(63)77(72)70-31-17-21-49-19-9-11-25-58(49)70/h5-47H,1-4H3.
What are the key properties of 4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine?
4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine has a molecular weight of 986.28 g/mol, XLogP of 20.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 59171720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).