N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine

C69H46N2 — CID 90175630

IUPACN,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc5c(c4)c4c6ccccc6c6ccccc6c4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C69H46N2/c1-5-19-51(20-6-1)69(52-21-7-2-8-22-52)64-32-18-17-29-59(64)60-43-42-56(46-65(60)69)70(53-23-9-3-10-24-53)55-40-37-48(38-41-55)47-33-35-49(36-34-47)50-39-44-66-63(45-50)67-61-30-15-13-27-57(61)58-28-14-16-31-62(58)68(67)71(66)54-25-11-4-12-26-54/h1-46H
InChIKeyCWVHOGOYRSKDEG-UHFFFAOYSA-N
MW903.14 g/mol
LogP18.26
Rot. Bonds8

About N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine

N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 90175630) has the molecular formula C69H46N2 and a molecular weight of 903.14 g/mol. Its IUPAC name is N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine
PubChem CID90175630
Molecular FormulaC69H46N2
Molecular Weight903.14 g/mol
Exact Mass902.37
IUPAC NameN,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc5c(c4)c4c6ccccc6c6ccccc6c4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C69H46N2/c1-5-19-51(20-6-1)69(52-21-7-2-8-22-52)64-32-18-17-29-59(64)60-43-42-56(46-65(60)69)70(53-23-9-3-10-24-53)55-40-37-48(38-41-55)47-33-35-49(36-34-47)50-39-44-66-63(45-50)67-61-30-15-13-27-57(61)58-28-14-16-31-62(58)68(67)71(66)54-25-11-4-12-26-54/h1-46H
InChIKeyCWVHOGOYRSKDEG-UHFFFAOYSA-N
XLogP18.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.14
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118289063
9,9-diphenyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118282644
N-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118282619
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
N,9,9-triphenyl-N-[4-(5-phenylbenzo[b]carbazol-2-yl)phenyl]fluoren-2-amine
CID 139573020
N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 89492077
N-[4-[6-[4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 59306647
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160652754
N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine
CID 134452955

Frequently Asked Questions

What is the IUPAC name of N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine (CID 90175630) is N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine is c1ccc(N(c2ccc(-c3ccc(-c4ccc5c(c4)c4c6ccccc6c6ccccc6c4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is CWVHOGOYRSKDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2/c1-5-19-51(20-6-1)69(52-21-7-2-8-22-52)64-32-18-17-29-59(64)60-43-42-56(46-65(60)69)70(53-23-9-3-10-24-53)55-40-37-48(38-41-55)47-33-35-49(36-34-47)50-39-44-66-63(45-50)67-61-30-15-13-27-57(61)58-28-14-16-31-62(58)68(67)71(66)54-25-11-4-12-26-54/h1-46H.
What are the key properties of N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine?
N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 903.14 g/mol, XLogP of 18.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 90175630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).