N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine

C73H51N — CID 122493630

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4c4cc6c(cc54)C(C)(C)c4ccccc4-6)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C73H51N/c1-71(2)62-26-12-7-20-51(62)56-39-37-47(41-67(56)71)74(69-31-17-25-57-54-23-11-16-30-66(54)73(70(57)69)64-28-14-9-21-52(64)53-22-10-15-29-65(53)73)46-35-32-44(33-36-46)45-34-38-50-58(40-45)48-18-5-6-19-49(48)59-42-61-55-24-8-13-27-63(55)72(3,4)68(61)43-60(50)59/h5-43H,1-4H3
InChIKeyCXBYWLMEEGRFDC-UHFFFAOYSA-N
MW942.22 g/mol
LogP19.24
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine (PubChem CID 122493630) has the molecular formula C73H51N and a molecular weight of 942.22 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
PubChem CID122493630
Molecular FormulaC73H51N
Molecular Weight942.22 g/mol
Exact Mass941.40
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4c4cc6c(cc54)C(C)(C)c4ccccc4-6)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C73H51N/c1-71(2)62-26-12-7-20-51(62)56-39-37-47(41-67(56)71)74(69-31-17-25-57-54-23-11-16-30-66(54)73(70(57)69)64-28-14-9-21-52(64)53-22-10-15-29-65(53)73)46-35-32-44(33-36-46)45-34-38-50-58(40-45)48-18-5-6-19-49(48)59-42-61-55-24-8-13-27-63(55)72(3,4)68(61)43-60(50)59/h5-43H,1-4H3
InChIKeyCXBYWLMEEGRFDC-UHFFFAOYSA-N
XLogP19.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.22
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine with MolForge

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Related Compounds

N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine
CID 167177372
N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 122493599
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379595
4-N-(9,9-dimethylfluoren-2-yl)-1-N'-(9,9-dimethylfluoren-4-yl)-4-N-phenyl-1-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 135271139
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-amine
CID 134528078
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 161228748
N-[3-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 165054985
N-[2-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308426
CID 158813700
CID 158813700

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine (CID 122493630) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4c4cc6c(cc54)C(C)(C)c4ccccc4-6)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is CXBYWLMEEGRFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51N/c1-71(2)62-26-12-7-20-51(62)56-39-37-47(41-67(56)71)74(69-31-17-25-57-54-23-11-16-30-66(54)73(70(57)69)64-28-14-9-21-52(64)53-22-10-15-29-65(53)73)46-35-32-44(33-36-46)45-34-38-50-58(40-45)48-18-5-6-19-49(48)59-42-61-55-24-8-13-27-63(55)72(3,4)68(61)43-60(50)59/h5-43H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 942.22 g/mol, XLogP of 19.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 122493630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).