N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine

C53H42N2 — CID 155399670

IUPACN-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C5)c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)ccc32)cc1
InChIInChI=1S/C53H42N2/c1-2-11-39(12-3-1)55-51-17-9-7-15-46(51)48-31-41(21-23-52(48)55)54(40-19-18-36-29-35-10-4-5-13-43(35)47(36)30-40)42-20-22-45-44-14-6-8-16-49(44)53(50(45)32-42)37-25-33-24-34(27-37)28-38(53)26-33/h1-23,30-34,37-38H,24-29H2
InChIKeyPKAHEKDBQSTZJV-UHFFFAOYSA-N
MW706.93 g/mol
LogP13.55
Rot. Bonds4

About N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine

N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine (PubChem CID 155399670) has the molecular formula C53H42N2 and a molecular weight of 706.93 g/mol. Its IUPAC name is N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine
PubChem CID155399670
Molecular FormulaC53H42N2
Molecular Weight706.93 g/mol
Exact Mass706.33
IUPAC NameN-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C5)c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)ccc32)cc1
InChIInChI=1S/C53H42N2/c1-2-11-39(12-3-1)55-51-17-9-7-15-46(51)48-31-41(21-23-52(48)55)54(40-19-18-36-29-35-10-4-5-13-43(35)47(36)30-40)42-20-22-45-44-14-6-8-16-49(44)53(50(45)32-42)37-25-33-24-34(27-37)28-38(53)26-33/h1-23,30-34,37-38H,24-29H2
InChIKeyPKAHEKDBQSTZJV-UHFFFAOYSA-N
XLogP13.55
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.93
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722836
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]carbazol-2-amine
CID 155399565
N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 155399719
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 159036181
9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine
CID 168722791
CID 159039073
CID 159039073
9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568063

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine?
The IUPAC name of N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine (CID 155399670) is N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine.
What is the SMILES notation for N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine?
The canonical SMILES for N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C5)c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)ccc32)cc1.
What is the InChIKey of N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine?
The InChIKey is PKAHEKDBQSTZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N2/c1-2-11-39(12-3-1)55-51-17-9-7-15-46(51)48-31-41(21-23-52(48)55)54(40-19-18-36-29-35-10-4-5-13-43(35)47(36)30-40)42-20-22-45-44-14-6-8-16-49(44)53(50(45)32-42)37-25-33-24-34(27-37)28-38(53)26-33/h1-23,30-34,37-38H,24-29H2.
What are the key properties of N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine?
N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine has a molecular weight of 706.93 g/mol, XLogP of 13.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine is sourced from PubChem (CID 155399670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).