N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine

C47H41N — CID 163949836

IUPACN-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(ccc5ccc6c(c54)-c4ccccc4C(C)(C)C6(C)C)c3)cc21
InChIInChI=1S/C47H41N/c1-45(2)39-18-12-10-16-36(39)37-26-24-34(29-42(37)45)48(32-14-8-7-9-15-32)33-23-25-35-31(28-33)21-20-30-22-27-41-44(43(30)35)38-17-11-13-19-40(38)46(3,4)47(41,5)6/h7-29H,1-6H3
InChIKeyNUGPGXZNBOGDBW-UHFFFAOYSA-N
MW619.85 g/mol
LogP13.00
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine

N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine (PubChem CID 163949836) has the molecular formula C47H41N and a molecular weight of 619.85 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine
PubChem CID163949836
Molecular FormulaC47H41N
Molecular Weight619.85 g/mol
Exact Mass619.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(ccc5ccc6c(c54)-c4ccccc4C(C)(C)C6(C)C)c3)cc21
InChIInChI=1S/C47H41N/c1-45(2)39-18-12-10-16-36(39)37-26-24-34(29-42(37)45)48(32-14-8-7-9-15-32)33-23-25-35-31(28-33)21-20-30-22-27-41-44(43(30)35)38-17-11-13-19-40(38)46(3,4)47(41,5)6/h7-29H,1-6H3
InChIKeyNUGPGXZNBOGDBW-UHFFFAOYSA-N
XLogP13.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.85
LogP ≤ 513.00
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)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine with MolForge

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Related Compounds

3-N-(9,9-dimethylfluoren-2-yl)-1-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171052166
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[3-(N-phenylanilino)naphthalen-2-yl]phenanthren-2-amine
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10,10,20,20,21,21-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-amine
CID 163520415
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167184258
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CID 170139827
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine
CID 121431565
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
9,9-dimethyl-N-[4-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100656
2-N,6-N-diphenyl-9,10-di(pyren-1-yl)-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
CID 88869077
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine (CID 163949836) is N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(ccc5ccc6c(c54)-c4ccccc4C(C)(C)C6(C)C)c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine?
The InChIKey is NUGPGXZNBOGDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N/c1-45(2)39-18-12-10-16-36(39)37-26-24-34(29-42(37)45)48(32-14-8-7-9-15-32)33-23-25-35-31(28-33)21-20-30-22-27-41-44(43(30)35)38-17-11-13-19-40(38)46(3,4)47(41,5)6/h7-29H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine?
N-(9,9-dimethylfluoren-2-yl)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine has a molecular weight of 619.85 g/mol, XLogP of 13.00, 3 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)-15,15,16,16-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,17,19,21-decaen-6-amine is sourced from PubChem (CID 163949836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).